CAS 898761-18-7

6-Chloro-1-(3-chloro-4-fluorophenyl)-1-hexanone

Description:

6-Chloro-1-(3-chloro-4-fluorophenyl)-1-hexanone, with the CAS number 898761-18-7, is an organic compound characterized by its unique molecular structure, which includes a hexanone backbone substituted with both chlorine and fluorine atoms. This compound typically exhibits a moderate to high level of lipophilicity due to its hydrophobic hexanone chain and aromatic ring, which can influence its solubility in organic solvents. The presence of halogen substituents, specifically chlorine and fluorine, can impart distinctive reactivity and stability characteristics, making it of interest in various chemical applications, including pharmaceuticals and agrochemicals. Additionally, the compound may exhibit biological activity, which can be attributed to its structural features. Its synthesis and handling require standard safety precautions due to the potential hazards associated with halogenated compounds. Overall, 6-Chloro-1-(3-chloro-4-fluorophenyl)-1-hexanone represents a valuable compound in the field of organic chemistry, with potential applications in medicinal chemistry and material science.

Formula: C₁₂H₁₃Cl₂FO

InChI: InChI=1S/C12H13Cl2FO/c13-7-3-1-2-4-12(16)9-5-6-11(15)10(14)8-9/h5-6,8H,1-4,7H2

InChI key: InChIKey=TULAGOLHEDJGHV-UHFFFAOYSA-N

SMILES: C(CCCCCCl)(=O)C1=CC(Cl)=C(F)C=C1

Synonyms:

• 6-Chloro-1-(3-chloro-4-fluorophenyl)-1-hexanone
• 1-Hexanone, 6-chloro-1-(3-chloro-4-fluorophenyl)-